Vitas-M small molecule compound
2-{[3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
Catalog ID
STL297145
SMILES CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)CC)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 C28H29N3O3S2 MW 519.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O3S2/c1-3-18-9-11-19(12-10-18)29-24(32)17-35-28-30-26-25(22-7-5-6-8-23(22)36-26)27(33)31(28)20-13-15-21(16-14-20)34-4-2/h9-16H,3-8,17H2,1-2H3,(H,29,32)InChIKey
VXSATFUDTZQUQV-UHFFFAOYSA-NSynonyms
499125-47-22((3(4ethoxyphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)N(4ethylphenyl)acetamide
2((3(4ethoxyphenyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)N(4ethylphenyl)acetamide
2((3(4ethoxyphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)N(4ethylphenyl)acetamide
499125472
CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)OCC
InChI=1SC28H29N3O3S2c131891119(121018)2924(32)173528302625(22756823(22)3626)27(33)31(28)20131521(161420)3442h916H3817H212H3(H2932)
MFCD03224560
ZINC000002370553
ZINC02370553
ZINC2370553
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