Vitas-M small molecule compound
2-{[5-(benzylsulfanyl)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
Catalog ID
STL035095
SMILES O=C(Nc1cccc2c1cccc2)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CC(C)(C)OCc2s1
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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 C31H27N5O2S3 MW 597.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27N5O2S3/c1-31(2)15-22-24(16-38-31)41-28-26(22)27-34-35-30(36(27)29(33-28)39-17-19-9-4-3-5-10-19)40-18-25(37)32-23-14-8-12-20-11-6-7-13-21(20)23/h3-14H,15-18H2,1-2H3,(H,32,37)InChIKey
FDFVZVMNGXDHOY-UHFFFAOYSA-NSynonyms
2((5(benzylsulfanyl)1010dimethyl1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)N(naphthalen1yl)acetamide
2((5(benzylthio)1010dimethyl1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)N(naphthalen1yl)acetamide
CC1(CC2=C(CO1)SC3=C2C4=NN=C(N4C(=N3)SCC5=CC=CC=C5)SCC(=O)NC6=CC=CC7=CC=CC=C76)C
InChI=1SC31H27N5O2S3c131(2)152224(163831)412826(22)27343530(36(27)29(3328)39171994351019)401825(37)3223148122011671321(20)23h314H1518H212H3(H3237)
MFCD04082126
ZINC000001865488
ZINC01865488
ZINC1865488
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