Vitas-M small molecule compound
N-(4-ethylphenyl)-4-(4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Catalog ID
STK628627
SMILES CCc1ccc(cc1)NC(=S)c1n2nc(n3c2c(c1c1ccc(cc1)OC)CCCC3)c1ccccc1
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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 C31H30N4OS MW 506.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4OS/c1-3-21-12-16-24(17-13-21)32-30(37)28-27(22-14-18-25(36-2)19-15-22)26-11-7-8-20-34-29(33-35(28)31(26)34)23-9-5-4-6-10-23/h4-6,9-10,12-19H,3,7-8,11,20H2,1-2H3,(H,32,37)InChIKey
JCTJHKBTBGMKLX-UHFFFAOYSA-NSynonyms
540500-21-8540500218
CCC1=CC=C(C=C1)NC(=S)C2=C(C3=C4N2N=C(N4CCCC3)C5=CC=CC=C5)C6=CC=C(C=C6)OC
InChI=1SC31H30N4OSc1321121624(171321)3230(37)2827(22141825(362)191522)261178203429(3335(28)31(26)34)2395461023h469101219H3781120H212H3(H3237)
MFCD03460950
N(4ethylphenyl)1(4methoxyphenyl)4phenyl5678tetrahydro2a34atriazacyclopenta(cd)azulene2carbothioamide
N(4ethylphenyl)4(4methoxyphenyl)1phenyl5678tetrahydro22a8atriazacyclopenta(cd)azulene3carbothioamide
ZINC000002245904
ZINC02245904
ZINC2245904
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