Vitas-M small molecule compound

1-(3-chloro-4-methylphenyl)-3-[2-(dimethylamino)ethyl]thiourea

Catalog ID
STK459330
SMILES CN(CCNC(=S)Nc1ccc(c(c1)Cl)C)C

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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 C12H18ClN3S MW 271.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H18ClN3S/c1-9-4-5-10(8-11(9)13)15-12(17)14-6-7-16(2)3/h4-5,8H,6-7H2,1-3H3,(H2,14,15,17)
InChIKey
HLCKSOWWPBWVKX-UHFFFAOYSA-N
Synonyms

((2(DIMETHYLAMINO)ETHYL)AMINO)((3CHLORO4METHYLPHENYL)AMINO)METHANE1THIONE
1(3chloro4methylphenyl)3(2(dimethylamino)ethyl)thiourea
1(3CHLORO4METHYLPHENYL)3(2DIMETHYLAMINOETHYL)THIOUREA
CC1=C(C=C(C=C1)NC(=S)NCCN(C)C)Cl
InChI=1SC12H18ClN3Sc194510(811(9)13)1512(17)146716(2)3h458H67H213H3(H2141517)
MFCD05990618
ZINC000005041645
ZINC5041645

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.