Vitas-M small molecule compound
2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK673943
SMILES N#CC1=C(N)N(C2=C(C1c1cc(OC)c(c(c1)OC)OC)C(=O)CCC2)c1sc2c(c1C#N)CCCCC2
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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 C29H30N4O4S MW 530.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4O4S/c1-35-22-12-16(13-23(36-2)27(22)37-3)25-19(15-31)28(32)33(20-9-7-10-21(34)26(20)25)29-18(14-30)17-8-5-4-6-11-24(17)38-29/h12-13,25H,4-11,32H2,1-3H3InChIKey
MNHUEBPRFGHAMZ-UHFFFAOYSA-NSynonyms
312266-19-62amino1(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)5oxo4(345trimethoxyphenyl)145678hexahydroquinoline3carbonitrile
2amino1(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)5oxo4(345trimethoxyphenyl)4678tetrahydroquinoline3carbonitrile
312266196
COC1=CC(=CC(=C1OC)OC)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C5=C(S4)CCCCC5)C#N)N)C#N
InChI=1SC29H30N4O4Sc135221216(1323(362)27(22)373)2519(1531)28(32)33(20971021(34)26(20)25)2918(1430)1785461124(17)3829h121325H41132H213H3
MFCD01239856
ZINC000001022991
ZINC000001022992
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