Vitas-M small molecule compound
N-benzyl-2-{[6,6-dimethyl-3-(3-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STK544169
SMILES O=C(NCc1ccccc1)CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)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 C27H27N3O3S2 MW 505.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O3S2/c1-17-8-7-11-19(12-17)30-25(32)23-20-13-27(2,3)33-15-21(20)35-24(23)29-26(30)34-16-22(31)28-14-18-9-5-4-6-10-18/h4-12H,13-16H2,1-3H3,(H,28,31)InChIKey
XXGOIXHTHUBJAO-UHFFFAOYSA-NSynonyms
488100-33-0488100330
CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCC(=O)NCC4=CC=CC=C4)SC5=C3CC(OC5)(C)C
InChI=1SC27H27N3O3S2c117871119(1217)3025(32)23201327(23)331521(20)3524(23)2926(30)341622(31)28141895461018h412H1316H213H3(H2831)
MFCD03288472
Nbenzyl2((66dimethyl3(3methylphenyl)4oxo3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin2yl)sulfanyl)acetamide
Nbenzyl2((66dimethyl3(3methylphenyl)4oxo58dihydropyrano(23)thieno(24b)pyrimidin2yl)sulfanyl)acetamide
Nbenzyl2((66dimethyl4oxo3(mtolyl)4568tetrahydro3Hpyrano(4345)thieno(23d)pyrimidin2yl)thio)acetamide
ZINC000001243777
ZINC01243777
ZINC1243777
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