Vitas-M small molecule compound
N-(2,3-dimethylphenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STK096895
SMILES COc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2C)C)nc2c(c1=O)c1CCCCc1s2
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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 C27H27N3O3S2 MW 505.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O3S2/c1-16-7-6-9-21(17(16)2)28-23(31)15-34-27-29-25-24(20-8-4-5-10-22(20)35-25)26(32)30(27)18-11-13-19(33-3)14-12-18/h6-7,9,11-14H,4-5,8,10,15H2,1-3H3,(H,28,31)InChIKey
LECCUWQHAUTXMG-UHFFFAOYSA-NSynonyms
477330-62-4477330624
CC1=C(C(=CC=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)OC)C
COc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2C)C)nc2c(c1=O)c1CCCCc1s2
InChI=1SC27H27N3O3S2c11676921(17(16)2)2823(31)153427292524(208451022(20)3525)26(32)30(27)18111319(333)141218h6791114H4581015H213H3(H2831)
MFCD03223554
N(23dimethylphenyl)2((3(4methoxyphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(23dimethylphenyl)2((3(4methoxyphenyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetamide
N(23dimethylphenyl)2((3(4methoxyphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
STK096895
ZINC000002235636
ZINC02235636
ZINC2235636
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.