Vitas-M small molecule compound
methyl 2-[({4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl}carbonyl)amino]-5-methylthiophene-3-carboxylate
Catalog ID
STL394198
SMILES COC(=O)c1cc(sc1NC(=O)c1noc(c1Cn1nc(c(c1C)[N+](=O)[O-])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 C18H19N5O6S MW 433.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N5O6S/c1-8-6-12(18(25)28-5)17(30-8)19-16(24)14-13(11(4)29-21-14)7-22-10(3)15(23(26)27)9(2)20-22/h6H,7H2,1-5H3,(H,19,24)InChIKey
ZEOWYGFNLLTKJU-UHFFFAOYSA-NSynonyms
1006993-80-11006993801
CC1=CC(=C(S1)NC(=O)C2=NOC(=C2CN3C(=C(C(=N3)C)(N+)(=O)(O))C)C)C(=O)OC
COC(=O)c1cc(sc1NC(=O)c1noc(c1Cn1nc(c(c1C)(N+)(=O)(O))C)C)C
InChI=1SC18H19N5O6Sc18612(18(25)285)17(308)1916(24)1413(11(4)292114)72210(3)15(23(26)27)9(2)2022h6H7H215H3(H1924)
METHYL2(((4((35DIMETHYL4NITRO1HPYRAZOL1YL)METHYL)5METHYL12OXAZOL3YL)CARBONYL)AMINO)5METHYLTHIOPHENE3CARBOXYLATE
methyl2((4((35dimethyl4nitropyrazol1yl)methyl)5methyl12oxazole3carbonyl)amino)5methylthiophene3carboxylate
MFCD08553971
ZINC000017098381
ZINC17098381
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