Vitas-M small molecule compound
N-(2,5-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
STK020863
SMILES COc1ccc(cc1)n1c(SCC(=O)Nc2cc(C)ccc2C)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/c1-16-8-9-17(2)21(14-16)28-23(31)15-34-27-29-25-24(20-6-4-5-7-22(20)35-25)26(32)30(27)18-10-12-19(33-3)13-11-18/h8-14H,4-7,15H2,1-3H3,(H,28,31)InChIKey
PRXSPLIGVSWMQT-UHFFFAOYSA-NSynonyms
476485-72-0476485720
CC1=CC(=C(C=C1)C)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)OC
COc1ccc(cc1)n1c(SCC(=O)Nc2cc(C)ccc2C)nc2c(c1=O)c1CCCCc1s2
InChI=1SC27H27N3O3S2c1168917(2)21(1416)2823(31)153427292524(20645722(20)3525)26(32)30(27)18101219(333)131118h814H4715H213H3(H2831)
MFCD03223565
N(25dimethylphenyl)2((3(4methoxyphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(25dimethylphenyl)2((3(4methoxyphenyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetamide
N(25dimethylphenyl)2((3(4methoxyphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
STK020863
ZINC000002260027
ZINC02260027
ZINC2260027
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