Vitas-M small molecule compound
4-(benzyloxy)-N-({6-methyl-2-[4-(propan-2-yl)phenyl]-2H-benzotriazol-5-yl}carbamothioyl)benzamide
Catalog ID
STK240696
SMILES S=C(Nc1cc2nn(nc2cc1C)c1ccc(cc1)C(C)C)NC(=O)c1ccc(cc1)OCc1ccccc1
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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 C31H29N5O2S MW 535.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N5O2S/c1-20(2)23-9-13-25(14-10-23)36-34-28-17-21(3)27(18-29(28)35-36)32-31(39)33-30(37)24-11-15-26(16-12-24)38-19-22-7-5-4-6-8-22/h4-18,20H,19H2,1-3H3,(H2,32,33,37,39)InChIKey
NOGASNZZODZYHZ-UHFFFAOYSA-NSynonyms
4(benzyloxy)N((6methyl2(4(propan2yl)phenyl)2Hbenzotriazol5yl)carbamothioyl)benzamide
CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=C(C=C5)C(C)C
InChI=1SC31H29N5O2Sc120(2)2391325(141023)3634281721(3)27(1829(28)3536)3231(39)3330(37)24111526(161224)3819227546822h41820H19H213H3(H232333739)
MFCD03906824
N((6METHYL2(4PROPAN2YLPHENYL)BENZOTRIAZOL5YL)CARBAMOTHIOYL)4PHENYLMETHOXYBENZAMIDE
ZINC000100361371
ZINC100361371
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