Vitas-M small molecule compound
N-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Catalog ID
STK302448
SMILES CCc1sc2c(c1)c(=O)n(c(n2)C)NC(=O)c1cccc(c1)Cn1ncc(c1)[N+](=O)[O-]
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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 C20H18N6O4S MW 438.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N6O4S/c1-3-16-8-17-19(31-16)22-12(2)25(20(17)28)23-18(27)14-6-4-5-13(7-14)10-24-11-15(9-21-24)26(29)30/h4-9,11H,3,10H2,1-2H3,(H,23,27)InChIKey
LXCQJTUQEFSXBM-UHFFFAOYSA-NSynonyms
512824-81-6512824816
CCC1=CC2=C(S1)N=C(N(C2=O)NC(=O)C3=CC(=CC=C3)CN4C=C(C=N4)(N+)(=O)(O))C
CCc1sc2c(c1)c(=O)n(c(n2)C)NC(=O)c1cccc(c1)Cn1ncc(c1)(N+)(=O)(O)
InChI=1SC20H18N6O4Sc131681719(3116)2212(2)25(20(17)28)2318(27)1464513(714)10241115(92124)26(29)30h4911H310H212H3(H2327)
MFCD03468584
N(6ethyl2methyl4oxothieno(23d)pyrimidin3(4H)yl)3((4nitro1Hpyrazol1yl)methyl)benzamide
N(6ETHYL2METHYL4OXOTHIENO(23D)PYRIMIDIN3YL)3((4NITROPYRAZOL1YL)METHYL)BENZAMIDE
ZINC000002735531
ZINC02735531
ZINC2735531
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