Vitas-M small molecule compound
(8xi,9xi,14xi,16xi,17xi)-26-(acetylamino)-16-methylfurosta-5,20(22)-dien-3-yl butanoate
Catalog ID
STL526611
SMILES CCCC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC3(C2C(=C(O3)CCC(CNC(=O)C)C)C)C)C)C1)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 C34H53NO4 MW 539.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H53NO4/c1-8-9-30(37)38-25-14-16-32(5)24(18-25)11-12-26-27(32)15-17-33(6)28(26)19-34(7)31(33)22(3)29(39-34)13-10-21(2)20-35-23(4)36/h11,21,25-28,31H,8-10,12-20H2,1-7H3,(H,35,36)/t21?,25?,26?,27?,28?,31?,32-,33-,34?/m0/s1InChIKey
HWSROTCSZPVFBN-SUFUXSKASA-NSynonyms
((9~(S)13~(R))6(4acetamido3methylbutyl)47913tetramethyl5oxapentacyclo(10800^(29)0^(48)0^(1318))icosa618dien16yl)butanoate
(4R6aR6bS8aS8bS11aS12aS12bS)10((S)4acetamido3methylbutyl)6a8a911atetramethyl34566a6b788a8b11a1212a12btetradecahydro1Hnaphtho(2145)indeno(21b)furan4ylbutyrate
(8xi9xi14xi16xi17xi)26(acetylamino)16methylfurosta520(22)dien3ylbutanoate
135639177
CCCC(=O)O(C@@H)1CC(C@)2(C(=CC(C@@H)3(C@@H)2CC(C@)2((C@H)3C(C@)3((C@@H)2C(=C(O3)CC(C@@H)(CNC(=O)C)C)C)C)C)C1)C
InChI=1SC34H53NO4c18930(37)3825141632(5)24(1825)11122627(32)151733(6)28(26)1934(7)31(33)22(3)29(3934)131021(2)203523(4)36h1121252831H8101220H217H3(H3536)t21?25?26?27?28?31?323334?m0s1
MFCD03006404
ZINC001772492417
ZINC001772492420
Check stock
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Check stock on Vitas-MAvailable files
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