Vitas-M small molecule compound
methyl 2-{[({5-[3-(dimethylamino)phenyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}-4-(4-methylphenyl)thiophene-3-carboxylate
Catalog ID
STK467486
SMILES C=CCn1c(SCC(=O)Nc2scc(c2C(=O)OC)c2ccc(cc2)C)nnc1c1cccc(c1)N(C)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 C28H29N5O3S2 MW 547.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O3S2/c1-6-14-33-25(20-8-7-9-21(15-20)32(3)4)30-31-28(33)38-17-23(34)29-26-24(27(35)36-5)22(16-37-26)19-12-10-18(2)11-13-19/h6-13,15-16H,1,14,17H2,2-5H3,(H,29,34)InChIKey
JXAISCDROBKWEE-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CSC3=NN=C(N3CC=C)C4=CC(=CC=C4)N(C)C
InChI=1SC28H29N5O3S2c16143325(2087921(1520)32(3)4)303128(33)381723(34)292624(27(35)365)22(163726)19121018(2)111319h6131516H11417H225H3(H2934)
methyl2((((5(3(dimethylamino)phenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)amino)4(4methylphenyl)thiophene3carboxylate
methyl2((2((5(3(dimethylamino)phenyl)4prop2enyl124triazol3yl)sulfanyl)acetyl)amino)4(4methylphenyl)thiophene3carboxylate
METHYL2(2(5(3(DIMETHYLAMINO)PHENYL)4PROP2ENYL(124TRIAZOL3YLTHIO))ACETYLAMINO)4(4METHYLPHENYL)THIOPHENE3CARBOXYLATE
MFCD06119003
ZINC000097947977
ZINC97947977
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