Vitas-M small molecule compound
6-methyl-2-{[({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK484036
SMILES CC1CCc2c(C1)sc(c2C(=O)N)NC(=O)CSc1nnc(n1C)Cc1cccn1C
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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 C21H26N6O2S2 MW 458.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N6O2S2/c1-12-6-7-14-15(9-12)31-20(18(14)19(22)29)23-17(28)11-30-21-25-24-16(27(21)3)10-13-5-4-8-26(13)2/h4-5,8,12H,6-7,9-11H2,1-3H3,(H2,22,29)(H,23,28)InChIKey
JMLPTMDYWUTVMF-UHFFFAOYSA-NSynonyms
6methyl2((((4methyl5((1methyl1Hpyrrol2yl)methyl)4H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxamide
6methyl2((2((4methyl5((1methylpyrrol2yl)methyl)124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxamide
CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CSC3=NN=C(N3C)CC4=CC=CN4C
InChI=1SC21H26N6O2S2c112671415(912)3120(18(14)19(22)29)2317(28)113021252416(27(21)3)101354826(13)2h45812H67911H213H3(H22229)(H2328)
MFCD06143350
ZINC000013325418
ZINC000013325421
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