Vitas-M small molecule compound
propan-2-yl 3-[({[5-({[(3-methylphenyl)carbonyl]amino}methyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK186603
SMILES C=CCn1c(SCC(=O)Nc2cccc(c2)C(=O)OC(C)C)nnc1CNC(=O)c1cccc(c1)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 C26H29N5O4S MW 507.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N5O4S/c1-5-12-31-22(15-27-24(33)19-9-6-8-18(4)13-19)29-30-26(31)36-16-23(32)28-21-11-7-10-20(14-21)25(34)35-17(2)3/h5-11,13-14,17H,1,12,15-16H2,2-4H3,(H,27,33)(H,28,32)InChIKey
KSJDGAPQAOXUSZ-UHFFFAOYSA-NSynonyms
CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC(=C3)C(=O)OC(C)C
InChI=1SC26H29N5O4Sc15123122(152724(33)1996818(4)1319)293026(31)361623(32)28211171020(1421)25(34)3517(2)3h511131417H1121516H224H3(H2733)(H2832)
MFCD04389933
PROPAN2YL3((((5((((3METHYLPHENYL)CARBONYL)AMINO)METHYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
PROPAN2YL3((2((5(((3METHYLBENZOYL)AMINO)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ZINC000009260965
ZINC09260965
ZINC9260965
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