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,N-diphenylacetamide
Catalog ID
STL035096
SMILES O=C(N(c1ccccc1)c1ccccc1)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 C33H29N5O2S3 MW 623.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29N5O2S3/c1-33(2)18-25-26(19-40-33)43-30-28(25)29-35-36-32(38(29)31(34-30)41-20-22-12-6-3-7-13-22)42-21-27(39)37(23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17H,18-21H2,1-2H3InChIKey
BJNDTUGVBWNFLY-UHFFFAOYSA-NSynonyms
2((5(benzylsulfanyl)1010dimethyl1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)NNdiphenylacetamide
2((5(benzylthio)1010dimethyl1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)NNdiphenylacetamide
CC1(CC2=C(CO1)SC3=C2C4=NN=C(N4C(=N3)SCC5=CC=CC=C5)SCC(=O)N(C6=CC=CC=C6)C7=CC=CC=C7)C
InChI=1SC33H29N5O2S3c133(2)182526(194033)433028(25)29353632(38(29)31(3430)412022126371322)422127(39)37(23148491523)2416105111724h317H1821H212H3
MFCD04078671
ZINC000100156525
ZINC100156525
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