Vitas-M small molecule compound
methyl 5-methyl-4-(4-methylphenyl)-2-{[(3-nitrophenyl)carbonyl]amino}thiophene-3-carboxylate
Catalog ID
STK316639
SMILES COC(=O)c1c(NC(=O)c2cccc(c2)[N+](=O)[O-])sc(c1c1ccc(cc1)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 C21H18N2O5S MW 410.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O5S/c1-12-7-9-14(10-8-12)17-13(2)29-20(18(17)21(25)28-3)22-19(24)15-5-4-6-16(11-15)23(26)27/h4-11H,1-3H3,(H,22,24)InChIKey
VBOXRQUQEGKXGI-UHFFFAOYSA-NSynonyms
445006-49-5445006495
CC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C3=CC(=CC=C3)(N+)(=O)(O))C
COC(=O)c1c(NC(=O)c2cccc(c2)(N+)(=O)(O))sc(c1c1ccc(cc1)C)C
InChI=1SC21H18N2O5Sc1127914(10812)1713(2)2920(18(17)21(25)283)2219(24)1554616(1115)23(26)27h411H13H3(H2224)
METHYL2((3NITROBENZOYL)AMINO)5METHYL4(4METHYLPHENYL)THIOPHENE3CARBOXYLATE
methyl5methyl4(4methylphenyl)2(((3nitrophenyl)carbonyl)amino)thiophene3carboxylate
METHYL5METHYL4(4METHYLPHENYL)2((3NITROBENZOYL)AMINO)THIOPHENE3CARBOXYLATE
MFCD02607126
ZINC000000676028
ZINC00676028
ZINC676028
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