Vitas-M small molecule compound
2-{[6,6-dimethyl-3-(4-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(1-phenylpropan-2-yl)acetamide
Catalog ID
STK551873
SMILES CC(Cc1ccccc1)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CC(OC3)(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 C29H31N3O3S2 MW 533.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O3S2/c1-18-10-12-21(13-11-18)32-27(34)25-22-15-29(3,4)35-16-23(22)37-26(25)31-28(32)36-17-24(33)30-19(2)14-20-8-6-5-7-9-20/h5-13,19H,14-17H2,1-4H3,(H,30,33)InChIKey
OIRCLIMXKFMEEF-UHFFFAOYSA-NSynonyms
713113-10-12((66dimethyl3(4methylphenyl)4oxo3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin2yl)sulfanyl)N(1phenylpropan2yl)acetamide
2((66dimethyl3(4methylphenyl)4oxo58dihydropyrano(23)thieno(24b)pyrimidin2yl)sulfanyl)N(1phenylpropan2yl)acetamide
2((66dimethyl4oxo3(ptolyl)4568tetrahydro3Hpyrano(4345)thieno(23d)pyrimidin2yl)thio)N(1phenylpropan2yl)acetamide
713113101
CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC(C)CC4=CC=CC=C4)SC5=C3CC(OC5)(C)C
InChI=1SC29H31N3O3S2c118101221(131118)3227(34)25221529(34)351623(22)3726(25)3128(32)361724(33)3019(2)14208657920h51319H1417H214H3(H3033)
MFCD03692788
ZINC000002254404
ZINC000002254405
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