Vitas-M small molecule compound
12-(2-chlorophenyl)-3,9-bis(4-ethoxyphenyl)-6-thioxo-3,4,9,10-tetrahydro-2H-7,11-methano[1,3,5]triazino[1,2-a][1,5]diazocine-7,11(6H,8H)-dicarbonitrile
Catalog ID
STK886599
SMILES CCOc1ccc(cc1)N1CN=C2N(C1)C(=S)C1(C(C2(C#N)CN(C1)c1ccc(cc1)OCC)c1ccccc1Cl)C#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 C33H31ClN6O2S MW 611.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31ClN6O2S/c1-3-41-25-13-9-23(10-14-25)38-19-32(17-35)29(27-7-5-6-8-28(27)34)33(18-36,20-38)31(43)40-22-39(21-37-30(32)40)24-11-15-26(16-12-24)42-4-2/h5-16,29H,3-4,19-22H2,1-2H3InChIKey
OAVOZJVBOHZUOT-UHFFFAOYSA-NSynonyms
12(2chlorophenyl)39bis(4ethoxyphenyl)6thioxo34910tetrahydro2H711methano(135)triazino(12a)(15)diazocine711(6H8H)dicarbonitrile
CCOC1=CC=C(C=C1)N2CC3(C(C(C2)(C(=S)N4C3=NCN(C4)C5=CC=C(C=C5)OCC)C#N)C6=CC=CC=C6Cl)C#N
InChI=1SC33H31ClN6O2Sc13412513923(101425)381932(1735)29(27756828(27)34)33(18362038)31(43)402239(213730(32)40)24111526(161224)4242h51629H341922H212H3
MFCD10087175
ZINC000226624096
ZINC000245256134
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