Vitas-M small molecule compound
ethyl 4-[({[5-(1-{[(4-chlorophenyl)carbonyl]amino}ethyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK119399
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1CC)C(NC(=O)c1ccc(cc1)Cl)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 C24H26ClN5O4S MW 516.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26ClN5O4S/c1-4-30-21(15(3)26-22(32)16-6-10-18(25)11-7-16)28-29-24(30)35-14-20(31)27-19-12-8-17(9-13-19)23(33)34-5-2/h6-13,15H,4-5,14H2,1-3H3,(H,26,32)(H,27,31)InChIKey
MIAWWMIVRJOTAY-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OCC)C(C)NC(=O)C3=CC=C(C=C3)Cl
ETHYL4((((5(1(((4CHLOROPHENYL)CARBONYL)AMINO)ETHYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ETHYL4((2((5(1((4CHLOROBENZOYL)AMINO)ETHYL)4ETHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
InChI=1SC24H26ClN5O4Sc143021(15(3)2622(32)1661018(25)11716)282924(30)351420(31)271912817(91319)23(33)3452h61315H4514H213H3(H2632)(H2731)
MFCD04128443
ZINC000009305272
ZINC000009305273
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