Vitas-M small molecule compound
3-{[4-(3-chloro-4-methylphenyl)piperazin-1-yl]carbonyl}-6-nitro-2H-chromen-2-one
Catalog ID
STK769719
SMILES O=C(c1cc2cc(ccc2oc1=O)[N+](=O)[O-])N1CCN(CC1)c1ccc(c(c1)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 C21H18ClN3O5 MW 427.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3O5/c1-13-2-3-15(12-18(13)22)23-6-8-24(9-7-23)20(26)17-11-14-10-16(25(28)29)4-5-19(14)30-21(17)27/h2-5,10-12H,6-9H2,1H3InChIKey
DYPIFIQNMWLGSI-UHFFFAOYSA-NSynonyms
3((4(3chloro4methylphenyl)piperazin1yl)carbonyl)6nitro2Hchromen2one
3(4(3CHLORO4METHYLPHENYL)PIPERAZINE1CARBONYL)6NITROCHROMEN2ONE
CC1=C(C=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=CC(=C4)(N+)(=O)(O))OC3=O)Cl
InChI=1SC21H18ClN3O5c1132315(1218(13)22)236824(9723)20(26)1711141016(25(28)29)4519(14)3021(17)27h251012H69H21H3
MFCD03763533
O=C(c1cc2cc(ccc2oc1=O)(N+)(=O)(O))N1CCN(CC1)c1ccc(c(c1)Cl)C
ZINC000001071961
ZINC01071961
ZINC1071961
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