Vitas-M small molecule compound
(5aS,6R,12S)-3,6,9-trimethyldecahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl 4-({4-[(2,5-dioxopyrrolidin-1-yl)oxy]-4-oxobutyl}amino)-4-oxobutanoate
Catalog ID
STL533203
SMILES O=C(CCC(=O)OC1O[C@H]2OC3(C)CC[C@@H]4C2(C(C1C)CC[C@H]4C)OO3)NCCCC(=O)ON1C(=O)CCC1=O
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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 C27H38N2O11 MW 566.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H38N2O11/c1-15-6-7-18-16(2)24(36-25-27(18)17(15)12-13-26(3,37-25)39-40-27)35-22(33)11-8-19(30)28-14-4-5-23(34)38-29-20(31)9-10-21(29)32/h15-18,24-25H,4-14H2,1-3H3,(H,28,30)/t15-,16?,17+,18?,24?,25+,26?,27?/m1/s1InChIKey
LJOLTXORUZLCQZ-URXAJUKESA-NSynonyms
((4~(S)5~(R)12~(S))159trimethyl11141516tetraoxatetracyclo(10310^(413)0^(813))hexadecan10yl)4((4(25dioxopyrrolidin1yl)oxy4oxobutyl)amino)4oxobutanoate
(5aS6R12S)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl4((4((25dioxopyrrolidin1yl)oxy)4oxobutyl)amino)4oxobutanoate
(5aS6R12S)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl4((4((25dioxopyrrolidin1yl)oxy)4oxobutyl)amino)4oxobutanoate
16405287
InChI=1SC27H38N2O11c115671816(2)24(362527(18)17(15)121326(33725)394027)3522(33)11819(30)28144523(34)382920(31)91021(29)32h15182425H414H213H3(H2830)t1516?17+18?24?25+26?27?m1s1
MFCD06769876
O=C(CCC(=O)OC1O(C@H)2OC3(C)CC(C@@H)4C2(C(C1C)CC(C@H)4C)OO3)NCCCC(=O)ON1C(=O)CCC1=O
ZINC000230017307
ZINC000253387642
Check stock
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