Vitas-M small molecule compound
methyl 4-chloro-3-[({[5-({[(3,4-dichlorophenyl)carbonyl]amino}methyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK218906
SMILES C=CCn1c(SCC(=O)Nc2cc(ccc2Cl)C(=O)OC)nnc1CNC(=O)c1ccc(c(c1)Cl)Cl
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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 C23H20Cl3N5O4S MW 568.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20Cl3N5O4S/c1-3-8-31-19(11-27-21(33)13-4-6-15(24)17(26)9-13)29-30-23(31)36-12-20(32)28-18-10-14(22(34)35-2)5-7-16(18)25/h3-7,9-10H,1,8,11-12H2,2H3,(H,27,33)(H,28,32)InChIKey
CAMOELLUUYPCAP-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI=1SC23H20Cl3N5O4Sc1383119(112721(33)134615(24)17(26)913)293023(31)361220(32)28181014(22(34)352)5716(18)25h37910H181112H22H3(H2733)(H2832)
METHYL4CHLORO3((((5((((34DICHLOROPHENYL)CARBONYL)AMINO)METHYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4CHLORO3((2((5(((34DICHLOROBENZOYL)AMINO)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD06000150
ZINC000059612282
ZINC59612282
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