Vitas-M small molecule compound
3,9-bis(4-ethoxyphenyl)-12-(2-methoxyphenyl)-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
STK827060
SMILES CCOc1ccc(cc1)N1CN=C2N(C1)C(=S)C1(C(C2(C#N)CN(C1)c1ccc(cc1)OCC)c1ccccc1OC)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 C34H34N6O3S MW 606.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34N6O3S/c1-4-42-26-14-10-24(11-15-26)38-20-33(18-35)30(28-8-6-7-9-29(28)41-3)34(19-36,21-38)32(44)40-23-39(22-37-31(33)40)25-12-16-27(17-13-25)43-5-2/h6-17,30H,4-5,20-23H2,1-3H3InChIKey
YUMZPBIIVHWJLM-UHFFFAOYSA-NSynonyms
39bis(4ethoxyphenyl)12(2methoxyphenyl)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=C6OC)C#N
InChI=1SC34H34N6O3Sc144226141024(111526)382033(1835)30(28867929(28)413)34(19362138)32(44)402339(223731(33)40)25121627(171325)4352h61730H452023H213H3
MFCD10087173
ZINC000169504621
ZINC000245257367
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