Vitas-M small molecule compound
1-(abieta-8,11,13-trien-18-yl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-2,5-dihydro-1H-pyrrol-3-ol
Catalog ID
STL535524
SMILES CC(c1ccc2c(c1)CCC1C2(C)CCCC1(C)CN1CC(=C(C1=N)c1sc(c(n1)C)C)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 C29H39N3OS MW 477.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H39N3OS/c1-17(2)20-8-10-22-21(14-20)9-11-24-28(5,12-7-13-29(22,24)6)16-32-15-23(33)25(26(32)30)27-31-18(3)19(4)34-27/h8,10,14,17,24,30,33H,7,9,11-13,15-16H2,1-6H3/b30-26-InChIKey
IWXOTONGGWOSBA-BXVZCJGGSA-NSynonyms
1(abieta81113trien18yl)4(45dimethyl13thiazol2yl)5imino25dihydro1Hpyrrol3ol
InChI=1SC29H39N3OSc117(2)208102221(1420)9112428(51271329(2224)6)16321523(33)25(26(32)30)273118(3)19(4)3427h8101417243033H7911131516H216H3b3026+
MFCD31754057
ZINC000102411252
ZINC000253529918
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