Vitas-M small molecule compound
2-chloro-N-[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide
Catalog ID
STK180479
SMILES O=C(c1ccc(cc1Cl)[N+](=O)[O-])Nc1ccc2c(c1)nc(o2)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 C21H13Cl2N3O4 MW 442.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13Cl2N3O4/c1-11-2-3-12(8-16(11)22)21-25-18-9-13(4-7-19(18)30-21)24-20(27)15-6-5-14(26(28)29)10-17(15)23/h2-10H,1H3,(H,24,27)InChIKey
DRPBUVGVZGSZKP-UHFFFAOYSA-NSynonyms
2CHLORON(2(3CHLORO4METHYLPHENYL)13BENZOXAZOL5YL)4NITROBENZAMIDE
CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=C(C=C(C=C4)(N+)(=O)(O))Cl)Cl
InChI=1SC21H13Cl2N3O4c1112312(816(11)22)212518913(4719(18)3021)2420(27)156514(26(28)29)1017(15)23h210H1H3(H2427)
MFCD03062200
O=C(c1ccc(cc1Cl)(N+)(=O)(O))Nc1ccc2c(c1)nc(o2)c1ccc(c(c1)Cl)C
ZINC000002987729
ZINC02987729
ZINC2987729
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