Vitas-M small molecule compound
2-{[(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STL079714
SMILES O=c1[nH]c(SCc2n[nH]c(=S)n2c2ccccc2)nc2c1c1CCCc1s2
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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 C18H15N5OS3 MW 413.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N5OS3/c24-15-14-11-7-4-8-12(11)27-16(14)20-17(19-15)26-9-13-21-22-18(25)23(13)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,22,25)(H,19,20,24)InChIKey
DWWPXIBQOWEJSH-UHFFFAOYSA-NSynonyms
2(((4phenyl5thioxo45dihydro1H124triazol3yl)methyl)sulfanyl)3567tetrahydro4Hcyclopenta(45)thieno(23d)pyrimidin4one
3((4phenyl5sulfanylidene1H124triazol3yl)methylsulfanyl)2678tetrahydrocyclopenta(23)thieno(24b)pyrimidin1one
C1CC2=C(C1)SC3=C2C(=O)NC(=N3)SCC4=NNC(=S)N4C5=CC=CC=C5
InChI=1SC18H15N5OS3c2415141174812(11)2716(14)2017(1915)26913212218(25)23(13)105213610h1356H479H2(H2225)(H192024)
MFCD05718948
O=c1(nH)c(SCc2n(nH)c(=S)n2c2ccccc2)nc2c1c1CCCc1s2
ZINC000008579877
ZINC8579877
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