Vitas-M small molecule compound
3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-N-{3-[(4-methylphenyl)sulfanyl]-5-nitrophenyl}propanamide
Catalog ID
STK308137
SMILES O=C(Nc1cc(Sc2ccc(cc2)C)cc(c1)[N+](=O)[O-])CCn1nc(c(c1C)Cl)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 C21H21ClN4O3S MW 444.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN4O3S/c1-13-4-6-18(7-5-13)30-19-11-16(10-17(12-19)26(28)29)23-20(27)8-9-25-15(3)21(22)14(2)24-25/h4-7,10-12H,8-9H2,1-3H3,(H,23,27)InChIKey
QSDXCDPZPKKOQQ-UHFFFAOYSA-NSynonyms
1005653-81-51005653815
3(4chloro35dimethyl1Hpyrazol1yl)N(3((4methylphenyl)sulfanyl)5nitrophenyl)propanamide
3(4CHLORO35DIMETHYLPYRAZOL1YL)N(3(4METHYLPHENYL)SULFANYL5NITROPHENYL)PROPANAMIDE
CC1=CC=C(C=C1)SC2=CC(=CC(=C2)(N+)(=O)(O))NC(=O)CCN3C(=C(C(=N3)C)Cl)C
InChI=1SC21H21ClN4O3Sc1134618(7513)30191116(1017(1219)26(28)29)2320(27)892515(3)21(22)14(2)2425h471012H89H213H3(H2327)
MFCD04131789
O=C(Nc1cc(Sc2ccc(cc2)C)cc(c1)(N+)(=O)(O))CCn1nc(c(c1C)Cl)C
ZINC000002795612
ZINC02795612
ZINC2795612
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