Vitas-M small molecule compound
methyl 5-methyl-2-[({[4-oxo-3-(pyridin-4-ylmethyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]thiophene-3-carboxylate
Catalog ID
STK436749
SMILES COC(=O)c1cc(sc1NC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccncc1)CCCC3)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 C25H24N4O4S3 MW 540.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O4S3/c1-14-11-17(24(32)33-2)21(35-14)27-19(30)13-34-25-28-22-20(16-5-3-4-6-18(16)36-22)23(31)29(25)12-15-7-9-26-10-8-15/h7-11H,3-6,12-13H2,1-2H3,(H,27,30)InChIKey
WVOVDEHZFRLILU-UHFFFAOYSA-NSynonyms
CC1=CC(=C(S1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC5=CC=NC=C5)C(=O)OC
InChI=1SC25H24N4O4S3c1141117(24(32)332)21(3514)2719(30)133425282220(16534618(16)3622)23(31)29(25)1215792610815h711H361213H212H3(H2730)
methyl5methyl2((((4oxo3(pyridin4ylmethyl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetyl)amino)thiophene3carboxylate
methyl5methyl2((2((4oxo3(pyridin4ylmethyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetyl)amino)thiophene3carboxylate
MFCD03945015
ZINC000097946009
ZINC97946009
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