Vitas-M small molecule compound
ethyl 2-({[(5,6-dimethyl-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK795888
SMILES CCOC(=O)c1c(NC(=O)CSc2nc3sc(c(c3c(=O)n2c2ccccc2)C)C)sc2c1CCCC2
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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 C27H27N3O4S3 MW 553.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O4S3/c1-4-34-26(33)22-18-12-8-9-13-19(18)37-24(22)28-20(31)14-35-27-29-23-21(15(2)16(3)36-23)25(32)30(27)17-10-6-5-7-11-17/h5-7,10-11H,4,8-9,12-14H2,1-3H3,(H,28,31)InChIKey
KAFBOOHRAXKURU-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC4=C(C(=C(S4)C)C)C(=O)N3C5=CC=CC=C5
ethyl2((((56dimethyl4oxo3phenyl34dihydrothieno(23d)pyrimidin2yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2(56dimethyl4oxo3phenylthieno(23d)pyrimidin2yl)sulfanylacetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2((56dimethyl4oxo3phenyl34dihydrothieno(23d)pyrimidin2yl)thio)acetamido)4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC27H27N3O4S3c143426(33)221812891319(18)3724(22)2820(31)143527292321(15(2)16(3)3623)25(32)30(27)17106571117h571011H4891214H213H3(H2831)
MFCD03286732
ZINC000001772752
ZINC01772752
ZINC1772752
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