Vitas-M small molecule compound
2-{[3-(3-methylphenyl)-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-phenylbutan-2-yl)acetamide
Catalog ID
STK542474
SMILES CC(NC(=O)CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(OC3)C(C)C)CCc1ccccc1
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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 C31H35N3O3S2 MW 561.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N3O3S2/c1-19(2)25-16-24-26(17-37-25)39-29-28(24)30(36)34(23-12-8-9-20(3)15-23)31(33-29)38-18-27(35)32-21(4)13-14-22-10-6-5-7-11-22/h5-12,15,19,21,25H,13-14,16-18H2,1-4H3,(H,32,35)InChIKey
VWNUEEKPDJFTNF-UHFFFAOYSA-NSynonyms
2((3(3methylphenyl)4oxo6(propan2yl)3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin2yl)sulfanyl)N(4phenylbutan2yl)acetamide
2((3(3methylphenyl)4oxo6propan2yl68dihydro5Hpyrano(23)thieno(24b)pyrimidin2yl)sulfanyl)N(4phenylbutan2yl)acetamide
2((6isopropyl4oxo3(mtolyl)4568tetrahydro3Hpyrano(4345)thieno(23d)pyrimidin2yl)thio)N(4phenylbutan2yl)acetamide
CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCC(=O)NC(C)CCC4=CC=CC=C4)SC5=C3CC(OC5)C(C)C
InChI=1SC31H35N3O3S2c119(2)25162426(173725)392928(24)30(36)34(23128920(3)1523)31(3329)381827(35)3221(4)131422106571122h51215192125H13141618H214H3(H3235)
MFCD03296099
ZINC000001829855
ZINC000001829858
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