Vitas-M small molecule compound
ethyl 6-methyl-2-[({[6-methyl-4-oxo-3-(pyridin-4-ylmethyl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK437398
SMILES CCOC(=O)c1c(NC(=O)CSc2nc3sc(cc3c(=O)n2Cc2ccncc2)C)sc2c1CCC(C2)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 C27H28N4O4S3 MW 568.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O4S3/c1-4-35-26(34)22-18-6-5-15(2)11-20(18)38-24(22)29-21(32)14-36-27-30-23-19(12-16(3)37-23)25(33)31(27)13-17-7-9-28-10-8-17/h7-10,12,15H,4-6,11,13-14H2,1-3H3,(H,29,32)InChIKey
CBTSSLNBJNRGBB-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CSC3=NC4=C(C=C(S4)C)C(=O)N3CC5=CC=NC=C5
ethyl6methyl2((((6methyl4oxo3(pyridin4ylmethyl)34dihydrothieno(23d)pyrimidin2yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6methyl2((2(6methyl4oxo3(pyridin4ylmethyl)thieno(23d)pyrimidin2yl)sulfanylacetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC27H28N4O4S3c143526(34)22186515(2)1120(18)3824(22)2921(32)143627302319(1216(3)3723)25(33)31(27)1317792810817h7101215H46111314H213H3(H2932)
MFCD03945011
ZINC000005948000
ZINC000005948002
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