Vitas-M small molecule compound
8-methoxy-3-{3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-2-thioxo-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Catalog ID
STL188965
SMILES COc1cccc(c1)N1CCN(CC1)C(=O)CCn1c(=S)[nH]c2c(c1=O)[nH]c1c2cc(cc1)OC
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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 C25H27N5O4S MW 493.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N5O4S/c1-33-17-5-3-4-16(14-17)28-10-12-29(13-11-28)21(31)8-9-30-24(32)23-22(27-25(30)35)19-15-18(34-2)6-7-20(19)26-23/h3-7,14-15,26H,8-13H2,1-2H3,(H,27,35)InChIKey
RTWGLCXNMWIRNB-UHFFFAOYSA-NSynonyms
8methoxy3(3(4(3methoxyphenyl)piperazin1yl)3oxopropyl)2sulfanylidene15dihydropyrimido(54b)indol4one
8methoxy3(3(4(3methoxyphenyl)piperazin1yl)3oxopropyl)2thioxo1235tetrahydro4Hpyrimido(54b)indol4one
COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCC(=O)N4CCN(CC4)C5=CC(=CC=C5)OC
COc1cccc(c1)N1CCN(CC1)C(=O)CCn1c(=S)(nH)c2c(c1=O)(nH)c1c2cc(cc1)OC
InChI=1SC25H27N5O4Sc1331753416(1417)28101229(131128)21(31)893024(32)2322(2725(30)35)191518(342)6720(19)2623h37141526H813H212H3(H2735)
MFCD22388895
ZINC000072331391
ZINC72331391
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