Vitas-M small molecule compound
6-hydroxy-2-[(E)-2-{4-[(4-methylphenyl)sulfanyl]phenyl}ethenyl]-5-nitropyrimidin-4(3H)-one
Catalog ID
STL359750
SMILES Oc1nc(/C=C/c2ccc(cc2)Sc2ccc(cc2)C)[nH]c(=O)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 C19H15N3O4S MW 381.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15N3O4S/c1-12-2-7-14(8-3-12)27-15-9-4-13(5-10-15)6-11-16-20-18(23)17(22(25)26)19(24)21-16/h2-11H,1H3,(H2,20,21,23,24)/b11-6+InChIKey
OBRSQNAMHOHREO-IZZDOVSWSA-NSynonyms
4HYDROXY2((E)2(4(4METHYLPHENYL)SULFANYLPHENYL)ETHENYL)5NITRO1HPYRIMIDIN6ONE
6hydroxy2((E)2(4((4methylphenyl)sulfanyl)phenyl)ethenyl)5nitropyrimidin4(3H)one
CC1=CC=C(C=C1)SC2=CC=C(C=C2)C=CC3=NC(=C(C(=O)N3)(N+)(=O)(O))O
InChI=1SC19H15N3O4Sc1122714(8312)27159413(51015)611162018(23)17(22(25)26)19(24)2116h211H1H3(H220212324)b116+
MFCD06006079
Oc1nc(C=Cc2ccc(cc2)Sc2ccc(cc2)C)(nH)c(=O)c1(N+)(=O)(O)
ZINC000009235096
ZINC9235096
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