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)-1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide
Catalog ID
STK303495
SMILES O=C(c1n(C)nc(c1[N+](=O)[O-])C)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 C21H26N6O4S MW 458.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N6O4S/c1-10-16(27(30)31)17(25(6)23-10)18(28)24-26-11(2)22-19-15(20(26)29)13-8-7-12(21(3,4)5)9-14(13)32-19/h12H,7-9H2,1-6H3,(H,24,28)InChIKey
IWOLAVPZDQDAJI-UHFFFAOYSA-NSynonyms
1005558-61-11005558611
CC1=NN(C(=C1(N+)(=O)(O))C(=O)NN2C(=NC3=C(C2=O)C4=C(S3)CC(CC4)C(C)(C)C)C)C
InChI=1SC21H26N6O4Sc11016(27(30)31)17(25(6)2310)18(28)242611(2)221915(20(26)29)138712(21(34)5)914(13)3219h12H79H216H3(H2428)
MFCD04042494
N(7tertbutyl2methyl4oxo5678tetrahydro(1)benzothieno(23d)pyrimidin3(4H)yl)13dimethyl4nitro1Hpyrazole5carboxamide
N(7tertbutyl2methyl4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)25dimethyl4nitropyrazole3carboxamide
O=C(c1n(C)nc(c1(N+)(=O)(O))C)Nn1c(C)nc2c(c1=O)c1CCC(Cc1s2)C(C)(C)C
ZINC000002777523
ZINC000002777524
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Check stock on Vitas-MAvailable files
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