Vitas-M small molecule compound
8-amino-5-(2,3-dimethoxyphenyl)-2,2-dimethyl-4-oxo-1,3,4,5,10,11,12,13-octahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
Catalog ID
STK675697
SMILES COc1c(OC)cccc1C1C2=C(CC(CC2=O)(C)C)n2c(=C1C#N)nc(c1c2sc2c1CCCCC2)N
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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 C30H32N4O3S MW 528.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N4O3S/c1-30(2)13-19-25(20(35)14-30)23(17-10-8-11-21(36-3)26(17)37-4)18(15-31)28-33-27(32)24-16-9-6-5-7-12-22(16)38-29(24)34(19)28/h8,10-11,23H,5-7,9,12-14H2,1-4H3,(H2,32,33)InChIKey
KPWWRSHOXPVWIR-UHFFFAOYSA-NSynonyms
8amino5(23dimethoxyphenyl)22dimethyl4oxo134510111213octahydro2H9Hcyclohepta(45)thieno(3256)pyrimido(12a)quinoline6carbonitrile
CC1(CC2=C(C(C(=C3N2C4=C(C5=C(S4)CCCCC5)C(=N3)N)C#N)C6=C(C(=CC=C6)OC)OC)C(=O)C1)C
InChI=1SC30H32N4O3Sc130(2)131925(20(35)1430)23(171081121(363)26(17)374)18(1531)283327(32)241696571222(16)3829(24)34(19)28h8101123H5791214H214H3(H23233)
MFCD01820149
ZINC000003669589
ZINC000003669590
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