Vitas-M small molecule compound
propan-2-yl 4-chloro-3-[({[5-(4-methoxybenzyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK218948
SMILES C=CCn1c(SCC(=O)Nc2cc(ccc2Cl)C(=O)OC(C)C)nnc1Cc1ccc(cc1)OC
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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 C25H27ClN4O4S MW 515.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27ClN4O4S/c1-5-12-30-22(13-17-6-9-19(33-4)10-7-17)28-29-25(30)35-15-23(31)27-21-14-18(8-11-20(21)26)24(32)34-16(2)3/h5-11,14,16H,1,12-13,15H2,2-4H3,(H,27,31)InChIKey
CEJVILMQBFWQJF-UHFFFAOYSA-NSynonyms
CC(C)OC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2CC=C)CC3=CC=C(C=C3)OC
InChI=1SC25H27ClN4O4Sc15123022(13176919(334)10717)282925(30)351523(31)27211418(81120(21)26)24(32)3416(2)3h5111416H1121315H224H3(H2731)
MFCD06000437
PROPAN2YL4CHLORO3((((5(4METHOXYBENZYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
PROPAN2YL4CHLORO3((2((5((4METHOXYPHENYL)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ZINC000009302339
ZINC09302339
ZINC9302339
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