Vitas-M small molecule compound
3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-[(2-phenylbutanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL176765
SMILES CCC(c1ccccc1)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnc(s1)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 C21H22N4O4S3 MW 490.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4S3/c1-3-14(12-7-5-4-6-8-12)17(26)22-15-18(27)25-16(20(28)29)13(9-30-19(15)25)10-31-21-24-23-11(2)32-21/h4-8,14-15,19H,3,9-10H2,1-2H3,(H,22,26)(H,28,29)InChIKey
KUFARVJVCDJSND-UHFFFAOYSA-NSynonyms
1214202-55-71214202557
3(((5methyl134thiadiazol2yl)sulfanyl)methyl)8oxo7((2phenylbutanoyl)amino)5thia1azabicyclo(420)oct2ene2carboxylicacid
3((5METHYL(134THIADIAZOL2YLTHIO))METHYL)6OXO7(2PHENYLBUTANOYLAMINO)2H7H7AHAZETIDINO(21B)13THIAZINE4CARBOXYLICACID
3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)8OXO7(2PHENYLBUTANOYLAMINO)5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CCC(C1=CC=CC=C1)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=C(S4)C)C(=O)O
InChI=1SC21H22N4O4S3c1314(127546812)17(26)221518(27)2516(20(28)29)13(93019(15)25)103121242311(2)3221h48141519H3910H212H3(H2226)(H2829)
MFCD04050763
ZINC000002786697
ZINC000035678210
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