Vitas-M small molecule compound
(3R)-N-((2S,3R)-1-((4-methoxybenzyl)amino)-3-methyl-1-oxopentan-2-yl)-2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydrothiazolo[2,3-a]isoindole-3-carboxamide
Catalog ID
STL565487
SMILES COc1ccc(cc1)CNC(=O)[C@H](C(CC)C)NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1
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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 C27H33N3O4S MW 495.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N3O4S/c1-6-16(2)21(23(31)28-15-17-11-13-18(34-5)14-12-17)29-24(32)22-27(3,4)35-26-20-10-8-7-9-19(20)25(33)30(22)26/h7-14,16,21-22,26H,6,15H2,1-5H3,(H,28,31)(H,29,32)/t16?,21-,22+,26?/m0/s1InChIKey
BZALKFHVDLNGIP-QQYLNNHWSA-NSynonyms
956823-64-6(3R)N((2S)1((4methoxyphenyl)methylamino)3methyl1oxopentan2yl)22dimethyl5oxo39bdihydro(13)thiazolo(23a)isoindole3carboxamide
(3R)N((2S3R)1((4methoxybenzyl)amino)3methyl1oxopentan2yl)22dimethyl5oxo2359btetrahydrothiazolo(23a)isoindole3carboxamide
16405630
956823646
COc1ccc(cc1)CNC(=O)(C@H)(C(CC)C)NC(=O)(C@H)1N2C(SC1(C)C)c1c(C2=O)cccc1
InChI=1SC27H33N3O4Sc1616(2)21(23(31)281517111318(345)141217)2924(32)2227(34)3526201087919(20)25(33)30(22)26h71416212226H615H215H3(H2831)(H2932)t16?2122+26?m0s1
ZINC000008791821
ZINC000012888521
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