Vitas-M small molecule compound
4-(1-methyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 10H-phenothiazine-10-carboxylate
Catalog ID
STK138729
SMILES O=C(N1c2ccccc2Sc2c1cccc2)Oc1ccc(cc1)C1C2=C(Nc3c1c(=O)[nH]c(=O)n3C)c1c(C2=O)cccc1
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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 C34H22N4O5S MW 598.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H22N4O5S/c1-37-31-28(32(40)36-33(37)41)26(27-29(35-31)20-8-2-3-9-21(20)30(27)39)18-14-16-19(17-15-18)43-34(42)38-22-10-4-6-12-24(22)44-25-13-7-5-11-23(25)38/h2-17,26,35H,1H3,(H,36,40,41)InChIKey
WQBSKFUPMBFVFT-UHFFFAOYSA-NSynonyms
4(1methyl246trioxo2345611hexahydro1Hindeno(2156)pyrido(23d)pyrimidin5yl)phenyl10Hphenothiazine10carboxylate
CN1C2=C(C(C3=C(N2)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)OC(=O)N6C7=CC=CC=C7SC8=CC=CC=C86)C(=O)NC1=O
InChI=1SC34H22N4O5Sc1373128(32(40)3633(37)41)26(2729(3531)20823921(20)30(27)39)18141619(171518)4334(42)382210461224(22)442513751123(25)38h2172635H1H3(H364041)
MFCD03009442
O=C(N1c2ccccc2Sc2c1cccc2)Oc1ccc(cc1)C1C2=C(Nc3c1c(=O)(nH)c(=O)n3C)c1c(C2=O)cccc1
ZINC000008432563
ZINC000008432564
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