Vitas-M small molecule compound
(3R)-N-{(2S)-1-[(3-methoxyphenyl)amino]-1-oxopropan-2-yl}-2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Catalog ID
STK587245
SMILES COc1cccc(c1)NC(=O)[C@@H](NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)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 C23H25N3O4S MW 439.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O4S/c1-13(19(27)25-14-8-7-9-15(12-14)30-4)24-20(28)18-23(2,3)31-22-17-11-6-5-10-16(17)21(29)26(18)22/h5-13,18,22H,1-4H3,(H,24,28)(H,25,27)/t13-,18+,22?/m0/s1InChIKey
ZGXVHVVQESZFIC-NBYZVLRXSA-NSynonyms
1014022-80-0(3R)N((2S)1((3methoxyphenyl)amino)1oxopropan2yl)22dimethyl5oxo2359btetrahydro(13)thiazolo(23a)isoindole3carboxamide
(3R)N((2S)1(3methoxyanilino)1oxopropan2yl)22dimethyl5oxo39bdihydro(13)thiazolo(23a)isoindole3carboxamide
(3R)N((S)1((3methoxyphenyl)amino)1oxopropan2yl)22dimethyl5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamide
1014022800
CC(C(=O)NC1=CC(=CC=C1)OC)NC(=O)C2C(SC3N2C(=O)C4=CC=CC=C34)(C)C
COc1cccc(c1)NC(=O)(C@@H)(NC(=O)(C@H)1N2C(SC1(C)C)c1c(C2=O)cccc1)C
InChI=1SC23H25N3O4Sc113(19(27)251487915(1214)304)2420(28)1823(23)31221711651016(17)21(29)26(18)22h5131822H14H3(H2428)(H2527)t1318+22?m0s1
ZINC000009449172
ZINC000013554877
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