Vitas-M small molecule compound

(1R,1'R,2S,4a'R,6a'R,6b'R,12a'R)-2',2',6a',6b',9',9',12a'-heptamethyl-2-(4-methyl-1,3-thiazol-5-yl)octadecahydro-2'H,10'H-spiro[cyclopropane-1,11'-[16]oxa[1,4a](epoxymethano)picen]-10'-one

Catalog ID
STL299828
SMILES Cc1ncsc1[C@H]1C[C@]21C[C@@]1(C)C(C(C2=O)(C)C)CC[C@@]2(C1CCC1[C@@]2(C)CC[C@@]23C1[C@H](OC2)C(C)(C)CC3)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 C36H53NO2S MW 563.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H53NO2S/c1-21-27(40-20-37-21)23-17-36(23)18-32(6)24(31(4,5)29(36)38)11-12-34(8)25(32)10-9-22-26-28-30(2,3)13-15-35(26,19-39-28)16-14-33(22,34)7/h20,22-26,28H,9-19H2,1-8H3/t22?,23-,24?,25?,26?,28-,32+,33-,34-,35-,36-/m1/s1
InChIKey
VUGRFRRCNUJGCZ-QJBVXWECSA-N
Synonyms

(1R1R2S4aR6aR6bR12aR)226a6b9912aheptamethyl2(4methyl13thiazol5yl)octadecahydro2H10Hspiro(cyclopropane111(16)oxa(14a)(epoxymethano)picen)10one
Cc1ncsc1(C@H)1C(C@)21C(C@@)1(C)C(C(C2=O)(C)C)CC(C@@)2(C1CCC1(C@@)2(C)CC(C@@)23C1(C@H)(OC2)C(C)(C)CC3)C
ZINC000105877517
ZINC000137172794

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Available files

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