Vitas-M small molecule compound
2-{[6,6-dimethyl-3-(4-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
Catalog ID
STK542602
SMILES COc1cccc(c1)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CC(SC3)(C)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 C27H27N3O3S3 MW 537.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O3S3/c1-16-8-10-18(11-9-16)30-25(32)23-20-13-27(2,3)35-14-21(20)36-24(23)29-26(30)34-15-22(31)28-17-6-5-7-19(12-17)33-4/h5-12H,13-15H2,1-4H3,(H,28,31)InChIKey
URKHKGXQSJDTNT-UHFFFAOYSA-NSynonyms
497231-48-82((66dimethyl3(4methylphenyl)4oxo3568tetrahydro4Hthiopyrano(4345)thieno(23d)pyrimidin2yl)sulfanyl)N(3methoxyphenyl)acetamide
2((66dimethyl3(4methylphenyl)4oxo58dihydrothiopyrano(23)thieno(24b)pyrimidin2yl)sulfanyl)N(3methoxyphenyl)acetamide
2((66dimethyl4oxo3(ptolyl)4568tetrahydro3Hthiopyrano(4345)thieno(23d)pyrimidin2yl)thio)N(3methoxyphenyl)acetamide
497231488
CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC(=CC=C4)OC)SC5=C3CC(SC5)(C)C
InChI=1SC27H27N3O3S3c11681018(11916)3025(32)23201327(23)351421(20)3624(23)2926(30)341522(31)281765719(1217)334h512H1315H214H3(H2831)
MFCD03300700
ZINC000001900081
ZINC01900081
ZINC1900081
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