Vitas-M small molecule compound
2-{[(E)-{4-[bis(2-chloroethyl)amino]phenyl}methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STL169088
SMILES ClCCN(c1ccc(cc1)/C=N/c1sc2c(c1C#N)CCCC2)CCCl
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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 C20H21Cl2N3S MW 406.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21Cl2N3S/c21-9-11-25(12-10-22)16-7-5-15(6-8-16)14-24-20-18(13-23)17-3-1-2-4-19(17)26-20/h5-8,14H,1-4,9-12H2/b24-14+InChIKey
BVDZBWHIWSWJMR-ZVHZXABRSA-NSynonyms
2(((E)(4(bis(2chloroethyl)amino)phenyl)methylidene)amino)4567tetrahydro1benzothiophene3carbonitrile
2((E)(4(bis(2chloroethyl)amino)phenyl)methylideneamino)4567tetrahydro1benzothiophene3carbonitrile
C1CCC2=C(C1)C(=C(S2)N=CC3=CC=C(C=C3)N(CCCl)CCCl)C#N
ClCCN(c1ccc(cc1)C=Nc1sc2c(c1C#N)CCCC2)CCCl
InChI=1SC20H21Cl2N3Sc2191125(121022)167515(6816)14242018(1323)17312419(17)2620h5814H14912H2b2414+
MFCD01053782
ZINC000002092210
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