Vitas-M small molecule compound
(2E)-3-(2-chlorophenyl)-N-({2-[(3,4,5-trimethoxyphenyl)carbonyl]hydrazinyl}carbonothioyl)prop-2-enamide
Catalog ID
STK226769
SMILES COc1c(OC)cc(cc1OC)C(=O)NNC(=S)NC(=O)/C=C/c1ccccc1Cl
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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 C20H20ClN3O5S MW 449.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClN3O5S/c1-27-15-10-13(11-16(28-2)18(15)29-3)19(26)23-24-20(30)22-17(25)9-8-12-6-4-5-7-14(12)21/h4-11H,1-3H3,(H,23,26)(H2,22,24,25,30)/b9-8+InChIKey
HIJFBNFROQXKQU-CMDGGOBGSA-NSynonyms
(2E)3(2CHLOROPHENYL)N((2((345TRIMETHOXYPHENYL)CARBONYL)HYDRAZINYL)CARBONOTHIOYL)PROP2ENAMIDE
(E)3(2CHLOROPHENYL)N(((345TRIMETHOXYBENZOYL)AMINO)CARBAMOTHIOYL)PROP2ENAMIDE
COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NC(=O)C=CC2=CC=CC=C2Cl
COc1c(OC)cc(cc1OC)C(=O)NNC(=S)NC(=O)C=Cc1ccccc1Cl
InChI=1SC20H20ClN3O5Sc127151013(1116(282)18(15)293)19(26)232420(30)2217(25)9812645714(12)21h411H13H3(H2326)(H222242530)b98+
MFCD04106064
ZINC000009288473
ZINC09288473
ZINC9288473
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