Vitas-M small molecule compound
1-(4-nitrophenyl)-2-{[1-(phenylsulfonyl)-1H-benzimidazol-2-yl]sulfanyl}ethanone
Catalog ID
STK205490
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])CSc1nc2c(n1S(=O)(=O)c1ccccc1)cccc2
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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 C21H15N3O5S2 MW 453.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15N3O5S2/c25-20(15-10-12-16(13-11-15)24(26)27)14-30-21-22-18-8-4-5-9-19(18)23(21)31(28,29)17-6-2-1-3-7-17/h1-13H,14H2InChIKey
ITNHACKOWWYXSK-UHFFFAOYSA-NSynonyms
1(4NITROPHENYL)2((1(PHENYLSULFONYL)1HBENZIMIDAZOL2YL)SULFANYL)ETHANONE
2(1(BENZENESULFONYL)BENZIMIDAZOL2YL)SULFANYL1(4NITROPHENYL)ETHANONE
C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2SCC(=O)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC21H15N3O5S2c2520(15101216(131115)24(26)27)1430212218845919(18)23(21)31(2829)176213717h113H14H2
MFCD04215720
O=C(c1ccc(cc1)(N+)(=O)(O))CSc1nc2c(n1S(=O)(=O)c1ccccc1)cccc2
ZINC000006250818
ZINC06250818
ZINC6250818
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