Vitas-M small molecule compound
3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-beta-alaninate
Catalog ID
STL226634
SMILES O=C(OCc1ccccc1)NCCC(=O)Oc1cc2oc(=O)c(c(c2cc1Cl)C)Cc1ccccc1
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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 C28H24ClNO6 MW 505.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24ClNO6/c1-18-21-15-23(29)25(16-24(21)36-27(32)22(18)14-19-8-4-2-5-9-19)35-26(31)12-13-30-28(33)34-17-20-10-6-3-7-11-20/h2-11,15-16H,12-14,17H2,1H3,(H,30,33)InChIKey
BCLWIJXUFNSTHG-UHFFFAOYSA-NSynonyms
587012-02-0(3BENZYL6CHLORO4METHYL2OXOCHROMEN7YL)3(PHENYLMETHOXYCARBONYLAMINO)PROPANOATE
3benzyl6chloro4methyl2oxo2Hchromen7yl3(((benzyloxy)carbonyl)amino)propanoate
3benzyl6chloro4methyl2oxo2Hchromen7ylN((benzyloxy)carbonyl)betaalaninate
587012020
CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(=O)CCNC(=O)OCC3=CC=CC=C3)CC4=CC=CC=C4
InChI=1SC28H24ClNO6c118211523(29)25(1624(21)3627(32)22(18)14198425919)3526(31)12133028(33)341720106371120h2111516H121417H21H3(H3033)
MFCD04033386
ZINC000002396902
ZINC02396902
ZINC2396902
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