Vitas-M small molecule compound
8-ethyl-2-(4-{[3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]carbamothioyl}piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Catalog ID
STK328862
SMILES COC(=O)c1c(NC(=S)N2CCN(CC2)c2ncc3c(n2)n(CC)cc(c3=O)C(=O)O)sc2c1CCCCCC2
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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 C27H32N6O5S2 MW 584.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N6O5S2/c1-3-31-15-18(24(35)36)21(34)17-14-28-26(29-22(17)31)32-10-12-33(13-11-32)27(39)30-23-20(25(37)38-2)16-8-6-4-5-7-9-19(16)40-23/h14-15H,3-13H2,1-2H3,(H,30,39)(H,35,36)InChIKey
CJJOHYGFUAMVRC-UHFFFAOYSA-NSynonyms
696639-65-3696639653
8ethyl2(4((3(methoxycarbonyl)456789hexahydrocycloocta(b)thiophen2yl)carbamothioyl)piperazin1yl)5oxo58dihydropyrido(23d)pyrimidine6carboxylicacid
8ethyl2(4((3methoxycarbonyl456789hexahydrocycloocta(b)thiophen2yl)carbamothioyl)piperazin1yl)5oxopyrido(23d)pyrimidine6carboxylicacid
CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=C(C5=C(S4)CCCCCC5)C(=O)OC)C(=O)O
InChI=1SC27H32N6O5S2c13311518(24(35)36)21(34)17142826(2922(17)31)32101233(131132)27(39)302320(25(37)382)1686457919(16)4023h1415H313H212H3(H3039)(H3536)
MFCD05257467
ZINC000002863850
ZINC2863850
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