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Vitas-M small molecule compound

3-methyl-8-oxo-7-{[{[(2-oxoimidazolidin-1-yl)carbonyl]amino}(phenyl)acetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Catalog ID
STK397061
SMILES O=C(C(c1ccccc1)NC(=O)N1CCNC1=O)NC1C(=O)N2C1SCC(=C2C(=O)O)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C20H21N5O6S MW 459.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O6S/c1-10-9-32-17-13(16(27)25(17)14(10)18(28)29)22-15(26)12(11-5-3-2-4-6-11)23-20(31)24-8-7-21-19(24)30/h2-6,12-13,17H,7-9H2,1H3,(H,21,30)(H,22,26)(H,23,31)(H,28,29)
InChIKey
PZPZLYAELPRKDH-UHFFFAOYSA-N
Synonyms

(6R7R)3methyl8oxo7(2(2oxoimidazolidine1carboxamido)2phenylacetamido)5thia1azabicyclo(420)oct2ene2carboxylicacid
(6S7S)3METHYL8OXO7(((2R)2(((2OXOIMIDAZOLIDIN1YL)CARBONYL)AMINO)2PHENYLACETYL)AMINO)5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
3METHYL6OXO7(2((2OXOIMIDAZOLIDINYL)CARBONYLAMINO)2PHENYLACETYLAMINO)2H7H7AHAZETIDINO(21B)13THIAZINE4CARBOXYLICACID
3methyl8oxo7(((((2oxoimidazolidin1yl)carbonyl)amino)(phenyl)acetyl)amino)5thia1azabicyclo(420)oct2ene2carboxylicacid
3METHYL8OXO7((2((2OXOIMIDAZOLIDINE1CARBONYL)AMINO)2PHENYLACETYL)AMINO)5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)N4CCNC4=O)SC1)C(=O)O
InChI=1SC20H21N5O6Sc1109321713(16(27)25(17)14(10)18(28)29)2215(26)12(115324611)2320(31)24872119(24)30h26121317H79H21H3(H2130)(H2226)(H2331)(H2829)
MFCD00767915
O=C(C(c1ccccc1)NC(=O)N1CCNC1=O)N(C@@H)1C(=O)N2(C@@H)1SCC(=C2C(=O)O)C
ZINC000002151313
ZINC000013563716

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Available files

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