Vitas-M small molecule compound
propan-2-yl 3-[({[4-ethyl-5-({[(3-methylphenyl)carbonyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK114673
SMILES 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 C25H29N5O4S MW 495.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N5O4S/c1-5-30-21(14-26-23(32)18-9-6-8-17(4)12-18)28-29-25(30)35-15-22(31)27-20-11-7-10-19(13-20)24(33)34-16(2)3/h6-13,16H,5,14-15H2,1-4H3,(H,26,32)(H,27,31)InChIKey
IHGAMDVGVXZYQD-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OC(C)C)CNC(=O)C3=CC(=CC=C3)C
InChI=1SC25H29N5O4Sc153021(142623(32)1896817(4)1218)282925(30)351522(31)27201171019(1320)24(33)3416(2)3h61316H51415H214H3(H2632)(H2731)
MFCD03996354
PROPAN2YL3((((4ETHYL5((((3METHYLPHENYL)CARBONYL)AMINO)METHYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
PROPAN2YL3((2((4ETHYL5(((3METHYLBENZOYL)AMINO)METHYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ZINC000009305003
ZINC09305003
ZINC9305003
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