Vitas-M small molecule compound
3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]valinate
Catalog ID
STL533215
SMILES O=C(NC(C(=O)Oc1cc2oc(=O)c(c(c2cc1Cl)C)Cc1ccccc1)C(C)C)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 C30H28ClNO6 MW 534.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28ClNO6/c1-18(2)27(32-30(35)36-17-21-12-8-5-9-13-21)29(34)38-26-16-25-22(15-24(26)31)19(3)23(28(33)37-25)14-20-10-6-4-7-11-20/h4-13,15-16,18,27H,14,17H2,1-3H3,(H,32,35)InChIKey
JOBPCVYDRHPLGN-UHFFFAOYSA-NSynonyms
(3BENZYL6CHLORO4METHYL2OXOCHROMEN7YL)3METHYL2(PHENYLMETHOXYCARBONYLAMINO)BUTANOATE
(S)3benzyl6chloro4methyl2oxo2Hchromen7yl2(((benzyloxy)carbonyl)amino)3methylbutanoate
3471844
3benzyl6chloro4methyl2oxo2Hchromen7ylN((benzyloxy)carbonyl)valinate
InChI=1SC30H28ClNO6c118(2)27(3230(35)361721128591321)29(34)3826162522(1524(26)31)19(3)23(28(33)3725)1420106471120h41315161827H1417H213H3(H3235)
MFCD31754003
O=C(N(C@H)(C(=O)Oc1cc2oc(=O)c(c(c2cc1Cl)C)Cc1ccccc1)C(C)C)OCc1ccccc1
ZINC000002149401
ZINC000105999334
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