Vitas-M small molecule compound
methyl 2-{[({5-[4-(diethylamino)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
STK466971
SMILES C=CCn1c(SCC(=O)Nc2scc(c2C(=O)OC)c2ccc(cc2)C)nnc1c1ccc(cc1)N(CC)CC
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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 C30H33N5O3S2 MW 575.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N5O3S2/c1-6-17-35-27(22-13-15-23(16-14-22)34(7-2)8-3)32-33-30(35)40-19-25(36)31-28-26(29(37)38-5)24(18-39-28)21-11-9-20(4)10-12-21/h6,9-16,18H,1,7-8,17,19H2,2-5H3,(H,31,36)InChIKey
RIONNHJIYMJGCX-UHFFFAOYSA-NSynonyms
CCN(CC)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=C(C(=CS3)C4=CC=C(C=C4)C)C(=O)OC
InChI=1SC30H33N5O3S2c16173527(22131523(161422)34(72)83)323330(35)401925(36)312826(29(37)385)24(183928)2111920(4)101221h691618H1781719H225H3(H3136)
methyl2((((5(4(diethylamino)phenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)amino)4(4methylphenyl)thiophene3carboxylate
methyl2((2((5(4(diethylamino)phenyl)4prop2enyl124triazol3yl)sulfanyl)acetyl)amino)4(4methylphenyl)thiophene3carboxylate
METHYL2(2(5(4(DIETHYLAMINO)PHENYL)4PROP2ENYL(124TRIAZOL3YLTHIO))ACETYLAMINO)4(4METHYLPHENYL)THIOPHENE3CARBOXYLATE
MFCD06106404
ZINC000097948504
ZINC97948504
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