Vitas-M small molecule compound
N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Catalog ID
STL393701
SMILES Cn1nc(c(c1)[N+](=O)[O-])C(=O)Nn1c(C)nc2c(c1=O)c1CCC(Cc1s2)C(C)(C)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/c1-10-21-18-15(12-7-6-11(20(2,3)4)8-14(12)31-18)19(28)25(10)23-17(27)16-13(26(29)30)9-24(5)22-16/h9,11H,6-8H2,1-5H3,(H,23,27)InChIKey
MKQRDMBRWCDNMY-UHFFFAOYSA-NSynonyms
1005652-35-61005652356
CC1=NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N1NC(=O)C4=NN(C=C4(N+)(=O)(O))C
Cn1nc(c(c1)(N+)(=O)(O))C(=O)Nn1c(C)nc2c(c1=O)c1CCC(Cc1s2)C(C)(C)C
InChI=1SC20H24N6O4Sc110211815(127611(20(23)4)814(12)3118)19(28)25(10)2317(27)1613(26(29)30)924(5)2216h911H68H215H3(H2327)
MFCD04044307
N(7tertbutyl2methyl4oxo5678tetrahydro(1)benzothieno(23d)pyrimidin3(4H)yl)1methyl4nitro1Hpyrazole3carboxamide
N(7tertbutyl2methyl4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)1methyl4nitropyrazole3carboxamide
ZINC000002778093
ZINC000002778094
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