Vitas-M small molecule compound

propan-2-yl 3-({[(4-ethyl-5-{2-[(2-methylphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate

Catalog ID
STK197847
SMILES CCn1c(SCC(=O)Nc2cccc(c2)C(=O)OC(C)C)nnc1CC(=O)Nc1ccccc1C

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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(14-22(31)27-20-12-7-6-9-17(20)4)28-29-25(30)35-15-23(32)26-19-11-8-10-18(13-19)24(33)34-16(2)3/h6-13,16H,5,14-15H2,1-4H3,(H,26,32)(H,27,31)
InChIKey
OFQVXALBRSSKAF-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OC(C)C)CC(=O)NC3=CC=CC=C3C
InChI=1SC25H29N5O4Sc153021(1422(31)27201276917(20)4)282925(30)351523(32)26191181018(1319)24(33)3416(2)3h61316H51415H214H3(H2632)(H2731)
MFCD06629673
PROPAN2YL3((((4ETHYL5(2((2METHYLPHENYL)AMINO)2OXOETHYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
PROPAN2YL3((2((4ETHYL5(2(2METHYLANILINO)2OXOETHYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ZINC000009263787
ZINC09263787
ZINC9263787

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Available files

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