Vitas-M small molecule compound
(8xi,11beta,14xi,16alpha)-9,21-dichloro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl furan-2-carboxylate
Catalog ID
STK802011
SMILES ClCC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)CC2[C@]1(C)C[C@H](O)[C@]1(C2CCC2=CC(=O)C=C[C@]12C)Cl
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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 C27H30Cl2O6 MW 521.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30Cl2O6/c1-15-11-19-18-7-6-16-12-17(30)8-9-24(16,2)26(18,29)21(31)13-25(19,3)27(15,22(32)14-28)35-23(33)20-5-4-10-34-20/h4-5,8-10,12,15,18-19,21,31H,6-7,11,13-14H2,1-3H3/t15-,18?,19?,21+,24+,25+,26+,27+/m1/s1InChIKey
WOFMFGQZHJDGCX-NKEDMXMMSA-NSynonyms
83919-23-7((9R10S11S13S16R17R)9chloro17(2chloroacetyl)11hydroxy101316trimethyl3oxo6781112141516octahydrocyclopenta(a)phenanthren17yl)furan2carboxylate
(8xi11beta14xi16alpha)921dichloro11hydroxy16methyl320dioxopregna14dien17ylfuran2carboxylate
83919237
CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CCl)OC(=O)C5=CC=CO5)C)O)Cl)C
ClCC(=O)(C@@)1(OC(=O)c2ccco2)(C@H)(C)CC2(C@)1(C)C(C@H)(O)(C@)1(C2CCC2=CC(=O)C=C(C@)12C)Cl
InChI=1SC27H30Cl2O6c11511191876161217(30)8924(162)26(1829)21(31)1325(193)27(1522(32)1428)3523(33)2054103420h45810121518192131H67111314H213H3t1518?19?21+24+25+26+27+m1s1
MFCD09843987
ZINC000003938677
ZINC000015894343
Check stock
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