Vitas-M small molecule compound

1,4-bis(4-chlorophenyl)-N-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide

Catalog ID
STK606965
SMILES COc1ccc(cc1)NC(=S)c1c(c2ccc(cc2)Cl)c2c3n1cc(n3CCCC2)c1ccc(cc1)Cl

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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 C30H25Cl2N3OS MW 546.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25Cl2N3OS/c1-36-24-15-13-23(14-16-24)33-29(37)28-27(20-7-11-22(32)12-8-20)25-4-2-3-17-34-26(18-35(28)30(25)34)19-5-9-21(31)10-6-19/h5-16,18H,2-4,17H2,1H3,(H,33,37)
InChIKey
VQICWEIHSNPUBI-UHFFFAOYSA-N
Synonyms
488137-86-6
14bis(4chlorophenyl)N(4methoxyphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
488137866
COC1=CC=C(C=C1)NC(=S)C2=C(C3=C4N2C=C(N4CCCC3)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl
InChI=1SC30H25Cl2N3OSc13624151323(141624)3329(37)2827(2071122(32)12820)25423173426(1835(28)30(25)34)195921(31)10619h51618H2417H21H3(H3337)
MFCD03290385
ZINC000002335078
ZINC2335078

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Available files

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