Vitas-M small molecule compound
N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide
Catalog ID
STK304024
SMILES CCn1nc(c(c1)[N+](=O)[O-])C(=O)Nn1c(C)nc2c(c1=O)c1CCC(Cc1s2)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 C18H20N6O4S MW 416.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N6O4S/c1-4-22-8-12(24(27)28)15(20-22)16(25)21-23-10(3)19-17-14(18(23)26)11-6-5-9(2)7-13(11)29-17/h8-9H,4-7H2,1-3H3,(H,21,25)InChIKey
NUMAIKJAPJAEAB-UHFFFAOYSA-NSynonyms
1005707-04-91005707049
CCN1C=C(C(=N1)C(=O)NN2C(=NC3=C(C2=O)C4=C(S3)CC(CC4)C)C)(N+)(=O)(O)
CCn1nc(c(c1)(N+)(=O)(O))C(=O)Nn1c(C)nc2c(c1=O)c1CCC(Cc1s2)C
InChI=1SC18H20N6O4Sc1422812(24(27)28)15(2022)16(25)212310(3)191714(18(23)26)11659(2)713(11)2917h89H47H213H3(H2125)
MFCD04042486
N(27dimethyl4oxo5678tetrahydro(1)benzothieno(23d)pyrimidin3(4H)yl)1ethyl4nitro1Hpyrazole3carboxamide
N(27dimethyl4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)1ethyl4nitropyrazole3carboxamide
ZINC000002779143
ZINC000002779144
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