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-(2,5-dimethylphenyl)thiophene-3-carboxylate
Catalog ID
STK467488
SMILES C=CCn1c(SCC(=O)Nc2scc(c2C(=O)OC)c2cc(C)ccc2C)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 C29H31N5O3S2 MW 561.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O3S2/c1-7-13-34-26(20-9-8-10-21(15-20)33(4)5)31-32-29(34)39-17-24(35)30-27-25(28(36)37-6)23(16-38-27)22-14-18(2)11-12-19(22)3/h7-12,14-16H,1,13,17H2,2-6H3,(H,30,35)InChIKey
KMZHNPZWZJZGBH-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1)C)C2=CSC(=C2C(=O)OC)NC(=O)CSC3=NN=C(N3CC=C)C4=CC(=CC=C4)N(C)C
InChI=1SC29H31N5O3S2c17133426(20981021(1520)33(4)5)313229(34)391724(35)302725(28(36)376)23(163827)221418(2)111219(22)3h7121416H11317H226H3(H3035)
methyl2((((5(3(dimethylamino)phenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)amino)4(25dimethylphenyl)thiophene3carboxylate
methyl2((2((5(3(dimethylamino)phenyl)4prop2enyl124triazol3yl)sulfanyl)acetyl)amino)4(25dimethylphenyl)thiophene3carboxylate
METHYL2(2(5(3(DIMETHYLAMINO)PHENYL)4PROP2ENYL(124TRIAZOL3YLTHIO))ACETYLAMINO)4(25DIMETHYLPHENYL)THIOPHENE3CARBOXYLATE
MFCD07078932
ZINC000097948292
ZINC97948292
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