Vitas-M small molecule compound
methyl 1-(4-methoxy-3-{[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]methyl}phenyl)-2,3,4,4a,9,9a-hexahydro-1H-beta-carboline-3-carboxylate
Catalog ID
STL534076
SMILES COC(=O)C1NC(c2ccc(c(c2)CSc2nnc(o2)c2ccccc2)OC)C2C(C1)c1ccccc1N2
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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 C29H28N4O4S MW 528.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N4O4S/c1-35-24-13-12-18(14-19(24)16-38-29-33-32-27(37-29)17-8-4-3-5-9-17)25-26-21(15-23(31-25)28(34)36-2)20-10-6-7-11-22(20)30-26/h3-14,21,23,25-26,30-31H,15-16H2,1-2H3InChIKey
FSXJHSOMWFDFJZ-UHFFFAOYSA-NSynonyms
4679003
CC(=O)OCOC(=O)C1NC(c2ccc(c(c2)CSc2nnc(o2)c2ccccc2)OC)C2C(C1)c1ccccc1N2
InChI=1SC29H28N4O4Sc13524131218(1419(24)163829333227(3729)178435917)252621(1523(3125)28(34)362)2010671122(20)3026h314212325263031H1516H212H3
methyl1(4methoxy3(((5phenyl134oxadiazol2yl)sulfanyl)methyl)phenyl)2344a99ahexahydro1Hbetacarboline3carboxylate
methyl1(4methoxy3(((5phenyl134oxadiazol2yl)thio)methyl)phenyl)2344a99ahexahydro1Hpyrido(34b)indole3carboxylateacetate
methyl1(4methoxy3((5phenyl134oxadiazol2yl)sulfanylmethyl)phenyl)2344~(a)99~(a)hexahydro1~(H)pyrido(34b)indole3carboxylate
MFCD01960252
ZINC000230069323
ZINC000253389791
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