Vitas-M small molecule compound
2-{4-[(4-chloro-3-nitrophenyl)carbonyl]piperazin-1-yl}-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK631556
SMILES O=C(c1ccc(c(c1)[N+](=O)[O-])Cl)N1CCN(CC1)c1nc2sc3c(c2c(=O)n1C)CCCC3
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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 C22H22ClN5O4S MW 487.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN5O4S/c1-25-21(30)18-14-4-2-3-5-17(14)33-19(18)24-22(25)27-10-8-26(9-11-27)20(29)13-6-7-15(23)16(12-13)28(31)32/h6-7,12H,2-5,8-11H2,1H3InChIKey
NECNWCAWFLVGGW-UHFFFAOYSA-NSynonyms
951961-81-22(4((4chloro3nitrophenyl)carbonyl)piperazin1yl)3methyl5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(4(4chloro3nitrobenzoyl)piperazin1yl)3methyl5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
2(4(4chloro3nitrobenzoyl)piperazin1yl)3methyl5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
951961812
CN1C(=O)C2=C(N=C1N3CCN(CC3)C(=O)C4=CC(=C(C=C4)Cl)(N+)(=O)(O))SC5=C2CCCC5
InChI=1SC22H22ClN5O4Sc12521(30)1814423517(14)3319(18)2422(25)2710826(91127)20(29)136715(23)16(1213)28(31)32h6712H25811H21H3
MFCD09859085
O=C(c1ccc(c(c1)(N+)(=O)(O))Cl)N1CCN(CC1)c1nc2sc3c(c2c(=O)n1C)CCCC3
ZINC000013736591
ZINC13736591
Check stock
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