Vitas-M small molecule compound
2-[(4-nitrobenzyl)sulfanyl]-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STL040810
SMILES C=CCn1c(SCc2ccc(cc2)[N+](=O)[O-])nc2c(c1=O)c1CCCCc1s2
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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 C20H19N3O3S2 MW 413.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O3S2/c1-2-11-22-19(24)17-15-5-3-4-6-16(15)28-18(17)21-20(22)27-12-13-7-9-14(10-8-13)23(25)26/h2,7-10H,1,3-6,11-12H2InChIKey
NVVFWWQYAKUTAN-UHFFFAOYSA-NSynonyms
2((4nitrobenzyl)sulfanyl)3(prop2en1yl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2((4nitrophenyl)methylsulfanyl)3prop2enyl5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
3allyl2((4nitrobenzyl)thio)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
446851612
C=CCN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)(N+)(=O)(O))SC4=C2CCCC4
C=CCn1c(SCc2ccc(cc2)(N+)(=O)(O))nc2c(c1=O)c1CCCCc1s2
InChI=1SC20H19N3O3S2c12112219(24)1715534616(15)2818(17)2120(22)2712137914(10813)23(25)26h2710H1361112H2
MFCD01184112
ZINC000005100104
ZINC05100104
ZINC5100104
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