Vitas-M small molecule compound
N-[2-({2-[(4-butoxyphenyl)amino]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]-4-tert-butylbenzamide
Catalog ID
STK674975
SMILES CCCCOc1ccc(cc1)NC(=O)CSc1nc2c(s1)cc(cc2)NC(=O)c1ccc(cc1)C(C)(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 C30H33N3O3S2 MW 547.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N3O3S2/c1-5-6-17-36-24-14-11-22(12-15-24)31-27(34)19-37-29-33-25-16-13-23(18-26(25)38-29)32-28(35)20-7-9-21(10-8-20)30(2,3)4/h7-16,18H,5-6,17,19H2,1-4H3,(H,31,34)(H,32,35)InChIKey
FRRPMDQZAKOHRC-UHFFFAOYSA-NSynonyms
CCCCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)C(C)(C)C
InChI=1SC30H33N3O3S2c156173624141122(121524)3127(34)1937293325161323(1826(25)3829)3228(35)207921(10820)30(23)4h71618H561719H214H3(H3134)(H3235)
MFCD01420414
N(2((2((4butoxyphenyl)amino)2oxoethyl)sulfanyl)13benzothiazol6yl)4tertbutylbenzamide
N(2(2(4BUTOXYANILINO)2OXOETHYL)SULFANYL13BENZOTHIAZOL6YL)4TERTBUTYLBENZAMIDE
ZINC000098002687
ZINC98002687
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