Vitas-M small molecule compound
(2Z,5xi,9xi,13xi,17xi,18xi)-2-(3-iodobenzylidene)-3-oxolup-20(29)-en-28-oic acid
Catalog ID
STL526067
SMILES Ic1cccc(c1)/C=C\1/C[C@@]2(C)C(C(C1=O)(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CCC1(C2[C@@H](CC1)C(=C)C)C(=O)O)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 C37H49IO3 MW 668.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H49IO3/c1-22(2)26-13-16-37(32(40)41)18-17-35(6)27(30(26)37)11-12-29-34(5)21-24(19-23-9-8-10-25(38)20-23)31(39)33(3,4)28(34)14-15-36(29,35)7/h8-10,19-20,26-30H,1,11-18,21H2,2-7H3,(H,40,41)/b24-19-/t26-,27?,28?,29?,30?,34-,35+,36+,37?/m0/s1InChIKey
MTEVWUWWYBUXPF-SAVVFSMCSA-NSynonyms
(1~(R)5~(a)~(R)5~(b)~(R)10~(Z)11~(a)~(R))10((3iodophenyl)methylidene)5~(a)5~(b)8811~(a)pentamethyl9oxo1prop1en2yl12345677~(a)1111~(b)121313~(a)13~(b)tetradecahydrocyclopenta(a)chrysene3~(a)carboxylicacid
(1R3aS5aR5bR11aR11bR13aRZ)10(3iodobenzylidene)5a5b8811apentamethyl9oxo1(prop1en2yl)icosahydro1Hcyclopenta(a)chrysene3acarboxylicacid
(2Z5xi9xi13xi17xi18xi)2(3iodobenzylidene)3oxolup20(29)en28oicacid
44661393
Ic1cccc(c1)C=C1C(C@@)2(C)C(C(C1=O)(C)C)CC(C@@)1((C@@H)2CC(C@H)2(C@@)1(C)CC(C@@)1(C2(C@@H)(CC1)C(=C)C)C(=O)O)C
InChI=1SC37H49IO3c122(2)26131637(32(40)41)181735(6)27(30(26)37)11122934(5)2124(1923981025(38)2023)31(39)33(34)28(34)141536(2935)7h81019202630H1111821H227H3(H4041)b2419t2627?28?29?30?3435+36+37?m0s1
MFCD02056863
ZINC000079216700
ZINC000079216705
Check stock
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