Vitas-M small molecule compound
3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)propanamide
Catalog ID
STK303958
SMILES CC1CCc2c(C1)sc1c2c(=O)n(c(n1)C)NC(=O)CCn1nc(c(c1C)[N+](=O)[O-])C
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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 C20H24N6O4S MW 444.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N6O4S/c1-10-5-6-14-15(9-10)31-19-17(14)20(28)25(13(4)21-19)23-16(27)7-8-24-12(3)18(26(29)30)11(2)22-24/h10H,5-9H2,1-4H3,(H,23,27)InChIKey
ROANGHMMWUCZFX-UHFFFAOYSA-NSynonyms
1005626-78-71005626787
3(35dimethyl4nitro1Hpyrazol1yl)N(27dimethyl4oxo5678tetrahydro(1)benzothieno(23d)pyrimidin3(4H)yl)propanamide
3(35dimethyl4nitropyrazol1yl)N(27dimethyl4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)propanamide
CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)C)NC(=O)CCN4C(=C(C(=N4)C)(N+)(=O)(O))C
CC1CCc2c(C1)sc1c2c(=O)n(c(n1)C)NC(=O)CCn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC20H24N6O4Sc110561415(910)311917(14)20(28)25(13(4)2119)2316(27)782412(3)18(26(29)30)11(2)2224h10H59H214H3(H2327)
MFCD04044583
ZINC000002778949
ZINC000002778950
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