Vitas-M small molecule compound
3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl {[(benzyloxy)carbonyl]amino}(phenyl)acetate
Catalog ID
STL055241
SMILES O=C(NC(c1ccccc1)C(=O)Oc1cc2oc(=O)c(c(c2cc1Cl)C)Cc1ccccc1)OCc1ccccc1
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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 C33H26ClNO6 MW 568.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H26ClNO6/c1-21-25-18-27(34)29(19-28(25)40-31(36)26(21)17-22-11-5-2-6-12-22)41-32(37)30(24-15-9-4-10-16-24)35-33(38)39-20-23-13-7-3-8-14-23/h2-16,18-19,30H,17,20H2,1H3,(H,35,38)InChIKey
HIPOUHQSNQNUEU-UHFFFAOYSA-NSynonyms
(3benzyl6chloro4methyl2oxochromen7yl)2phenyl2(phenylmethoxycarbonylamino)acetate
3benzyl6chloro4methyl2oxo2Hchromen7yl(((benzyloxy)carbonyl)amino)(phenyl)acetate
3benzyl6chloro4methyl2oxo2Hchromen7yl2(((benzyloxy)carbonyl)amino)2phenylacetate
CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)CC5=CC=CC=C5
InChI=1SC33H26ClNO6c121251827(34)29(1928(25)4031(36)26(21)1722115261222)4132(37)30(241594101624)3533(38)392023137381423h216181930H1720H21H3(H3538)
MFCD04010237
ZINC000102779382
ZINC000102779385
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